[[4-[2-(2-butanoyl-5-oxidanylidene-1,2,4-thiadiazol-3-yl)phenyl]phenyl]-methyl-amino] 1-methylpyrazole-4-carboxylate

Systemtic Name: [[4-[2-(2-butanoyl-5-oxidanylidene-1,2,4-thiadiazol-3-yl)phenyl]phenyl]-methyl-amino] 1-methylpyrazole-4-carboxylate Openeye Name: [4-[2-(2-butanoyl-5-oxo-1,2,4-thiadiazol-3-yl)phenyl]-N-methyl-anilino] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [N-methyl-4-[2-[5-oxo-2-(1-oxobutyl)-1,2,4-thiadiazol-3-yl]phenyl]anilino] ester IUPAC Name: [4-[2-(2-butanoyl-5-oxo-1,2,4-thiadiazol-3-yl)phenyl]-N-methylanilino] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [4-[2-(2-butyryl-5-keto-1,2,4-thiadiazol-3-yl)phenyl]-N-methyl-anilino] ester Formula: C24H23N5O4S MolecularWeight: 477.53552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(=O)S1)C2=CC=CC=C2C3=CC=C(C=C3)N(C)OC(=O)C4=CN(N=C4)C

Isomeric SMILES

CCCC(=O)N1C(=NC(=O)S1)C2=CC=CC=C2C3=CC=C(C=C3)N(C)OC(=O)C4=CN(N=C4)C

InChI

InChI=1S/C24H23N5O4S/c1-4-7-21(30)29-22(26-24(32)34-29)20-9-6-5-8-19(20)16-10-12-18(13-11-16)28(3)33-23(31)17-14-25-27(2)15-17/h5-6,8-15H,4,7H2,1-3H3